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BDBM50222288 3-hydroxy-2-pentyl-4H-benzopyran-4-one::CHEMBL241794

SMILES: CCCCCc1oc2ccccc2c(=O)c1O

InChI Key: InChIKey=QBUBFCMBETVQHF-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50222288   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222288
PNG
(3-hydroxy-2-pentyl-4H-benzopyran-4-one | CHEMBL241...)
Show SMILES CCCCCc1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C14H16O3/c1-2-3-4-9-12-14(16)13(15)10-7-5-6-8-11(10)17-12/h5-8,16H,2-4,9H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222288
PNG
(3-hydroxy-2-pentyl-4H-benzopyran-4-one | CHEMBL241...)
Show SMILES CCCCCc1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C14H16O3/c1-2-3-4-9-12-14(16)13(15)10-7-5-6-8-11(10)17-12/h5-8,16H,2-4,9H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222288
PNG
(3-hydroxy-2-pentyl-4H-benzopyran-4-one | CHEMBL241...)
Show SMILES CCCCCc1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C14H16O3/c1-2-3-4-9-12-14(16)13(15)10-7-5-6-8-11(10)17-12/h5-8,16H,2-4,9H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair